Abstract
The mechanisms of deformation and failure in face-centered cubic (FCC) nickel nanowires subjected to uniaxial tensile loading are investigated using molecular dynamics (MD) simulation, and the size effect on mechanical properties of FCC metal nanowires is studied. Simulation reveals that the surface free energy has great influence on the deformation and failure mechanism of metal nanowires. As a result of free surfaces and their reconstruction, the surface atoms depart from the perfect crystal lattice positions, leading to the appearance of nanocavities on the surfaces that are exposed to external load. The deformation process of nanowires undergoes expansion and connection of nanocavities from surface into inner lattices. Slip occurs during the deformation process, which is consistent with experimental phenomena. Elastic stiffness, yield, and fracture strength of nickel nanowires with various cross-sectional sizes are obtained, and the size effect on these mechanical properties is further analyzed. Based...
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